1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-26-18-8-7-16(13-17(18)21(22)23)27(24,25)20-11-9-19(10-12-20)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3